2-Fluoro-5-hydroxyphenylboronic Acid, Pinacol Ester - CAS 1398923-95-9
Catalog: |
BB056127 |
Product Name: |
2-Fluoro-5-hydroxyphenylboronic Acid, Pinacol Ester |
CAS: |
1398923-95-9 |
Synonyms: |
4-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL; 2-Fluoro-5-hydroxyphenylboronic acid, pinacol ester; Phenol, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
IUPAC Name: | 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Molecular Weight: | 238.06 |
Molecular Formula: | C12H16BFO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)F |
InChI: | InChI=1S/C12H16BFO3/c1-11(2)12(3,4)17-13(16-11)9-7-8(15)5-6-10(9)14/h5-7,15H,1-4H3 |
InChI Key: | GXQGRXFGHPKHTH-UHFFFAOYSA-N |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.1176527 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.1176527 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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